Binding information for 4li6_ligand_3_16.mol2(FDBF00027)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4li6_ligand_3_16.mol2 | 4li6 | 1 | -5.77 | CC(=O)N(C)C | 6 |
Structure and binding mode of 4li6_ligand_3_16.mol2(FDBF00027)
Important binding residues for 4li6_ligand_3_16.mol2(FDBF00027)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4li6 | SER1186 | -0.47 | 0.11 | -0.36 | 0.03 | -0.33 |
| 4li6 | ILE1212 | -0.68 | -1.28 | -1.96 | 0.58 | -1.39 |
| 4li6 | TYR1213 | -1.70 | -0.87 | -2.57 | 0.43 | -2.14 |
| 4li6 | TYR1224 | -1.10 | 0.05 | -1.05 | 0.20 | -0.85 |
| 4li6 | ILE1228 | -0.34 | 0.18 | -0.16 | -0.25 | -0.41 |
